name Intraclash total energy Backbone Hbond Sidechain Hbond Van der Waals Electrostatics Solvation Polar Solvation Hydrophobic Van de Waals clashes entropy side chain entropy main chain sloop_entropy mloop_entropy cis_bond torsional clash backbone clash helix dipole water bridge disulfide electrostatic Kon partial covalent bonds BUD14_1SEM-19_1.PDB 3.96441 -7.59000 -1.78000 -3.38000 -9.27000 -1.04000 9.38000 -12.58000 0.55000 6.84000 4.95000 0.00000 0.00000 0.00000 0.15000 0.42000 0.00000 -0.54000 0.00000 -0.87000 0.00000 2.38000 66.00000 BUD14_1SEM-19_2.PDB 2.67377 -7.83000 -1.87000 -2.48000 -9.53000 -0.93000 9.41000 -13.20000 0.56000 6.20000 5.10000 0.00000 0.00000 0.00000 0.05000 0.24000 0.00000 -0.28000 0.00000 -0.87000 0.00000 2.38000 66.00000 BUD14_1SEM-19_3.PDB 2.76412 -7.92000 -1.93000 -2.55000 -9.47000 -0.77000 9.33000 -13.09000 0.57000 5.99000 5.11000 0.00000 0.00000 0.00000 0.15000 0.31000 0.00000 -0.50000 0.00000 -0.76000 0.00000 2.38000 66.00000 BUD14_1SEM-19_4.PDB 3.26107 -7.70000 -1.89000 -3.24000 -9.25000 -1.06000 9.27000 -12.62000 2.09000 6.35000 4.03000 0.00000 0.00000 0.00000 0.11000 0.50000 0.00000 -0.60000 0.00000 -0.87000 0.00000 2.38000 66.00000 BUD14_1SEM-19_5.PDB 5.00670 -7.44000 -1.62000 -2.25000 -9.49000 -0.84000 9.35000 -13.10000 0.45000 5.81000 5.00000 0.00000 0.00000 0.00000 0.22000 0.40000 0.00000 -0.36000 0.00000 -0.60000 0.00000 2.38000 66.00000 BUD14_1SEM-19_6.PDB 2.52909 -7.99000 -1.83000 -2.47000 -9.64000 -1.00000 9.54000 -13.44000 0.57000 6.20000 5.04000 0.00000 0.00000 0.00000 0.09000 0.27000 0.00000 -0.31000 0.00000 -0.72000 0.00000 2.38000 66.00000 BUD14_1SEM-19_7.PDB 3.24852 -7.18000 -1.79000 -2.39000 -9.65000 -1.01000 9.35000 -13.32000 0.68000 6.63000 5.35000 0.00000 0.00000 0.00000 0.15000 0.40000 0.00000 -0.39000 0.00000 -0.77000 0.00000 2.38000 66.00000 BUD14_1SEM-19_8.PDB 2.81020 -7.89000 -1.83000 -2.44000 -9.63000 -1.19000 9.49000 -13.40000 0.76000 6.54000 5.06000 0.00000 0.00000 0.00000 0.07000 0.26000 0.00000 -0.38000 0.00000 -0.93000 0.00000 2.38000 66.00000 BUD14_1SEM-19_9.PDB 2.77207 -7.32000 -1.72000 -2.33000 -9.28000 -0.75000 9.19000 -12.85000 0.73000 5.83000 4.97000 0.00000 0.00000 0.00000 0.05000 0.23000 0.00000 -0.38000 0.00000 -0.78000 0.00000 2.38000 66.00000 BUD14_1SEM-19_10.PDB 3.58479 -7.28000 -1.85000 -2.47000 -9.02000 -1.10000 9.10000 -12.35000 0.45000 6.23000 5.08000 0.00000 0.00000 0.00000 0.15000 0.39000 0.00000 -0.56000 0.00000 -0.94000 0.00000 2.38000 66.00000 BUD14_1SEM-19_11.PDB 3.11067 -7.14000 -1.79000 -3.14000 -9.36000 -0.90000 9.40000 -13.11000 1.86000 7.02000 4.10000 0.00000 0.00000 0.00000 0.09000 0.24000 0.00000 -0.43000 0.00000 -0.88000 0.00000 2.38000 66.00000 BUD14_1SEM-19_12.PDB 4.22504 -6.50000 -1.81000 -2.49000 -9.10000 -0.95000 9.14000 -12.52000 1.97000 6.52000 4.32000 0.00000 0.00000 0.00000 0.02000 0.40000 0.00000 -0.63000 0.00000 -0.96000 0.00000 2.38000 66.00000 BUD14_1SEM-19_13.PDB 2.92623 -7.18000 -1.88000 -2.52000 -9.43000 -0.90000 9.31000 -13.38000 1.92000 6.59000 4.12000 0.00000 0.00000 0.00000 0.06000 0.20000 0.00000 -0.32000 0.00000 -0.77000 0.00000 2.38000 66.00000 BUD14_1SEM-19_14.PDB 4.07323 -6.26000 -1.80000 -2.41000 -8.80000 -0.66000 8.76000 -12.22000 1.99000 5.93000 3.85000 0.00000 0.00000 0.00000 0.21000 0.40000 0.00000 -0.31000 0.00000 -0.80000 0.00000 2.38000 66.00000 BUD14_1SEM-19_15.PDB 3.88289 -6.66000 -1.62000 -2.27000 -9.10000 -0.56000 8.99000 -12.77000 1.77000 5.70000 4.11000 0.00000 0.00000 0.00000 0.14000 0.30000 0.00000 -0.44000 0.00000 -0.60000 0.00000 2.38000 66.00000 BUD14_1SEM-19_16.PDB 3.11552 -7.51000 -1.88000 -2.53000 -9.78000 -1.07000 9.54000 -13.54000 1.91000 6.88000 4.19000 0.00000 0.00000 0.00000 0.05000 0.26000 0.00000 -0.32000 0.00000 -0.96000 0.00000 2.38000 66.00000 BUD14_1SEM-19_17.PDB 3.65650 -7.53000 -1.83000 -2.46000 -9.38000 -0.73000 9.15000 -13.02000 1.22000 6.25000 4.23000 0.00000 0.00000 0.00000 0.09000 0.21000 0.00000 -0.28000 0.00000 -0.77000 0.00000 2.38000 66.00000 BUD14_1SEM-19_18.PDB 3.32225 -7.05000 -1.80000 -2.43000 -9.02000 -0.73000 8.93000 -12.73000 1.81000 6.09000 4.08000 0.00000 0.00000 0.00000 0.06000 0.21000 0.00000 -0.52000 0.00000 -0.79000 0.00000 2.38000 66.00000 BUD14_1SEM-19_19.PDB 3.33989 -8.53000 -1.86000 -2.50000 -9.57000 -0.63000 9.25000 -13.39000 0.66000 6.33000 4.29000 0.00000 0.00000 0.00000 0.10000 0.28000 0.00000 -0.42000 0.00000 -0.79000 0.00000 2.38000 66.00000 BUD14_1SEM-19_20.PDB 4.95329 -6.03000 -1.86000 -2.67000 -8.78000 -1.00000 8.89000 -12.01000 1.19000 6.51000 4.78000 0.00000 0.00000 0.00000 0.39000 0.39000 0.00000 -0.57000 0.00000 -0.90000 0.00000 2.38000 66.00000 BUD14_1SEM-19_21.PDB 2.91819 -6.93000 -1.87000 -2.49000 -9.26000 -0.97000 9.28000 -13.00000 1.83000 6.64000 4.14000 0.00000 0.00000 0.00000 0.04000 0.20000 0.00000 -0.31000 0.00000 -0.96000 0.00000 2.38000 66.00000 BUD14_1SEM-19_22.PDB 4.45151 -6.49000 -1.83000 -3.24000 -9.12000 -0.77000 9.10000 -12.58000 2.08000 6.87000 4.36000 0.00000 0.00000 0.00000 0.01000 0.36000 0.00000 -0.51000 0.00000 -0.87000 0.00000 2.38000 66.00000 BUD14_1SEM-19_23.PDB 2.53433 -7.93000 -1.85000 -2.45000 -9.30000 -0.87000 9.21000 -12.94000 0.61000 6.61000 4.18000 0.00000 0.00000 0.00000 0.07000 0.19000 0.00000 -0.27000 0.00000 -0.92000 0.00000 2.38000 66.00000 BUD14_1SEM-19_24.PDB 3.30198 -7.85000 -1.55000 -2.17000 -9.33000 -0.76000 9.19000 -12.99000 0.56000 6.19000 4.05000 0.00000 0.00000 0.00000 0.12000 0.21000 0.00000 -0.40000 0.00000 -0.75000 0.00000 2.38000 66.00000 BUD14_1SEM-19_25.PDB 3.38043 -7.94000 -1.84000 -3.26000 -9.00000 -0.95000 9.02000 -12.35000 0.65000 6.91000 3.96000 0.00000 0.00000 0.00000 0.06000 0.29000 0.00000 -0.20000 0.00000 -0.93000 0.00000 2.38000 66.00000 BUD14_1SEM-19_26.PDB 2.81965 -8.37000 -1.80000 -2.43000 -9.79000 -0.88000 9.48000 -13.41000 0.51000 6.80000 4.21000 0.00000 0.00000 0.00000 0.06000 0.40000 0.00000 -0.33000 0.00000 -0.80000 0.00000 2.38000 66.00000 BUD14_1SEM-19_27.PDB 2.70566 -9.00000 -1.85000 -3.23000 -9.89000 -1.00000 9.59000 -13.74000 0.62000 6.66000 5.15000 0.00000 0.00000 0.00000 0.09000 0.39000 0.00000 -0.50000 0.00000 -0.91000 0.00000 2.38000 66.00000 BUD14_1SEM-19_28.PDB 2.91873 -7.66000 -1.73000 -2.33000 -9.13000 -0.78000 9.11000 -12.80000 0.54000 5.66000 5.00000 0.00000 0.00000 0.00000 0.05000 0.28000 0.00000 -0.48000 0.00000 -0.77000 0.00000 2.38000 66.00000 BUD14_1SEM-19_29.PDB 2.90318 -8.07000 -1.82000 -3.24000 -9.37000 -0.87000 9.28000 -12.95000 0.69000 6.49000 5.12000 0.00000 0.00000 0.00000 0.06000 0.23000 0.00000 -0.54000 0.00000 -0.90000 0.00000 2.38000 66.00000 BUD14_1SEM-19_30.PDB 2.97044 -7.07000 -1.82000 -2.46000 -9.30000 -0.87000 9.09000 -12.71000 0.52000 6.58000 5.19000 0.00000 0.00000 0.00000 0.05000 0.26000 0.00000 -0.52000 0.00000 -0.82000 0.00000 2.38000 66.00000